UCSF

ZINC42446825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 4.96 -34.45 2 4 1 37 254.398 3
Hi High (pH 8-9.5) 1.15 2.85 -7.69 1 4 0 36 253.39 3
Mid Mid (pH 6-8) 1.15 6.23 -96.64 3 4 2 41 255.406 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )